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  • n-Propyl propionate
Name:n-Propyl propionate
CAS No:106-36-5

PRODUCT DESCRIPTION

【Name】
n-Propyl propionate
【Iupac name】
propyl propanoate
【CAS Registry number】
106-36-5
【Synonyms】
1-propylpropanoate
n-Propyl n-propionate
n-Propyl propanoate
Propanoicacid,propylester
propanoicacidpropylester
Propyl ester of propanoic acid
Propylester kyseliny propionove
propylesterkyselinypropionove
Propyl propionate
【EINECS(EC#)】
203-389-7
【Molecular Formula】
C6H12O2 (Products with the same molecular formula)
【Molecular Weight】
116.16
【Inchi】
InChI=1/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3
【InChIKey】
MCSINKKTEDDPNK-UHFFFAOYSA-N
【Canonical SMILES】
CCCOC(=O)CC
【MOL File】
106-36-5.mol

Chemical and Physical Properties

【Appearance】
Colorless to pale yellowliquid
【Density】
0.881
【Melting Point】
-76℃
【Boiling Point】
122-124℃
【Vapour】
14.3mmHg at 25°C
【Refractive Index】
1.393
【Flash Point】
76?
【Water】
1ml sample completely soluble in 2ml 70%(v/v) ethanol. (25℃)
【Solubilities】
1ml sample completely soluble in 2ml 70%(v/v) ethanol. (25℃)
【Storage temp】
Flammables area
【Computed Properties】
Molecular Weight:116.15828 [g/mol]
Molecular Formula:C6H12O2
XLogP3:1.7
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:4
Exact Mass:116.08373
MonoIsotopic Mass:116.08373
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Formal Charge:0
Complexity:68.9
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:33

Safety and Handling

【Hazard Codes】
Xn:Harmful;
【Risk Statements】
R10;R20
【Safety Statements 】
S24
【HazardClass】
3
【Safety】

Hazard Codes of Propyl propionate (CAS NO.106-36-5): HarmfulXn 
Risk Statements: 10-20 
R10: Flammable. 
R20: Harmful by inhalation. 
Safety Statements: 24 
S24: Avoid contact with skin. 
RIDADR: UN 3272 3/PG 2
WGK Germany: 1
RTECS: UF7100000
HazardClass: 3 
PackingGroup: II 
Moderately toxic by ingestion. Very mildly toxic by inhalation. A skin irritant. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.

【PackingGroup 】
II
【Transport】
UN 3272
【Specification】

Clear colorless liquid
Safety Statements:24
24:Avoid contact with skin
【Report】

Reported in EPA TSCA Inventory.

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